3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide

C12H16ClN3O2 — CID 137011760

IUPAC3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(OCCC2CCC2)c1Cl
InChIInChI=1S/C12H16ClN3O2/c13-10-9(11(14)16-17)4-6-15-12(10)18-7-5-8-2-1-3-8/h4,6,8,17H,1-3,5,7H2,(H2,14,16)
InChIKeyGVIFMAGLVDWTTO-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.40
Rot. Bonds5

About 3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide

3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide (PubChem CID 137011760) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide
PubChem CID137011760
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(OCCC2CCC2)c1Cl
InChIInChI=1S/C12H16ClN3O2/c13-10-9(11(14)16-17)4-6-15-12(10)18-7-5-8-2-1-3-8/h4,6,8,17H,1-3,5,7H2,(H2,14,16)
InChIKeyGVIFMAGLVDWTTO-UHFFFAOYSA-N
XLogP2.40
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide
CID 136739694
2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 114157502
3-chloro-N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboximidamide
CID 136739684
3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
CID 136739755
3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide
CID 136739641
2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide
CID 106201905
3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739366
methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate
CID 114157712
4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide
CID 136731220
3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid
CID 106206427
3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid
CID 106203425
3-(2-cyclobutylethoxy)pyridazine-4-carboximidamide
CID 106202085

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide (CID 137011760) is 3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide is N/C(=N/O)c1ccnc(OCCC2CCC2)c1Cl.
What is the InChIKey of 3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is GVIFMAGLVDWTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-10-9(11(14)16-17)4-6-15-12(10)18-7-5-8-2-1-3-8/h4,6,8,17H,1-3,5,7H2,(H2,14,16).
What are the key properties of 3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide?
3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 269.73 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 137011760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).